3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile Openeye Name: 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile CAS Name: 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile IUPAC Name: 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Traditional Name: 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Formula: C13H15BN2O4 MolecularWeight: 274.0802

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H15BN2O4/c1-12(2)13(3,4)20-14(19-12)10-6-5-9(8-15)7-11(10)16(17)18/h5-7H,1-4H3